4339-0581 Screening compound: N-(4-methoxyphenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4339-0581 Screening compound: N-(4-methoxyphenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4339-0581 Screening compound: N-(4-methoxyphenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4339-0581
N-(4-methoxyphenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4339-0581

Molecular Formula

C17H17N3O3S (C17 H17 N3 O3 S)

Compound Name

N-(4-methoxyphenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-(4-methoxyphenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c2cccs2)=O)=C1C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C17H17N3O3S/c1-10-14(15(20-17(22)18-10)13-4-3-9-24-13)16(21)19-11-5-7-12(23-2)8-6-11/h3-9,15H,1-2H3,(H,19,21)(H2,18,20,22)/t15-/m0/s1

InChI Key

YJAKSZRAYQIWMJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01409850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.904

Water Solubility, LogSw

-2.53

Polar Surface Area

67.345

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

4339-0581 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4339-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4339-0581?
Check Price and Availability of 4339-0581, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4339-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4339-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4339-0581
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4339-0581 available by request